5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile

C16H21N3 — CID 102913556

IUPAC5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCn1ccc2cccc(CN)c21
InChIInChI=1S/C16H21N3/c1-16(2,12-18)8-4-9-19-10-7-13-5-3-6-14(11-17)15(13)19/h3,5-7,10H,4,8-9,11,17H2,1-2H3
InChIKeyCWTQZWRIZUQKLE-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.43
Rot. Bonds5

About 5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile

5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile (PubChem CID 102913556) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile
PubChem CID102913556
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCn1ccc2cccc(CN)c21
InChIInChI=1S/C16H21N3/c1-16(2,12-18)8-4-9-19-10-7-13-5-3-6-14(11-17)15(13)19/h3,5-7,10H,4,8-9,11,17H2,1-2H3
InChIKeyCWTQZWRIZUQKLE-UHFFFAOYSA-N
XLogP3.43
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile
CID 102917116
4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol
CID 102913373
[1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine
CID 102913583
[1-(4-methylpentyl)indol-7-yl]methanamine
CID 83169213
2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile
CID 102914573
[1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine
CID 113474456
6-[5-(aminomethyl)indol-1-yl]-2,2-dimethylhexanenitrile
CID 106713590
4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile
CID 102913605
4-[7-(methylaminomethyl)indol-1-yl]butanenitrile
CID 102913981
1-(4-cyano-4-methylpentyl)pyrrole-2-carbonitrile
CID 114650903
4-[7-(2-aminobutyl)indol-1-yl]butanenitrile
CID 102917322
5-[2-(hydroxymethyl)pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 66397395

Frequently Asked Questions

What is the IUPAC name of 5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile (CID 102913556) is 5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCn1ccc2cccc(CN)c21.
What is the InChIKey of 5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile?
The InChIKey is CWTQZWRIZUQKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2,12-18)8-4-9-19-10-7-13-5-3-6-14(11-17)15(13)19/h3,5-7,10H,4,8-9,11,17H2,1-2H3.
What are the key properties of 5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile?
5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile has a molecular weight of 255.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 102913556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).